Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Mar-2025 | pyraclonil_CONF30_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1369.31426399; Eh | |||
 | 13-Mar-2025 | pyraclonil_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1369.31595766; Eh | |||
 | 13-Mar-2025 | pyraclonil_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1369.31590865; Eh | |||
 | 13-Mar-2025 | pentoxazone_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1573.89703385; Eh | |||
 | 13-Mar-2025 | pentoxazone_CONF35_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1573.89341174; Eh | |||
 | 13-Mar-2025 | pentoxazone_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1573.89698883; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF7_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.66032266; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF8_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.65965901; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.65834662; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF12_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.65952221; Eh |
Results 591-600 of 3134 (Search time: 0.001 seconds).
Discover
Calculation type